Chemical ID: 6194078

COc1ccc2c(c1)cc(c(=Nc3ccc(cc3)C(F)(F)F)o2)C(=O)N
Chemical ID:
6194078
Name [?]:
6-methoxy-2-[4-(trifluoromethyl)phenyl]imino-chromene-3-carboxamide
SMILES [?]:
COc1ccc2c(c1)cc(c(=Nc3ccc(cc3)C(F)(F)F)o2)C(=O)N
InChi [?]:
InChI=1/C18H13F3N2O3/c1-25-13-6-7-15-10(8-13)9-14(16(22)24)17(26-15)23-12-4-2-11(3-5-12)18(19,20)21/h2-9H,1H3,(H2,22,24)
InChi Info:
AuxInfo=1/1/N:1,15,17,14,18,4,5,8,9,7,16,13,3,10,6,24,11,19,20,21,22,26,12,25,2,23/E:(2,3)(4,5)(19,20,21)/rA:26nCOCCCCCCCCCNCCCCCCCFFFOCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;s19;s6s11;s10;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13F3N2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.57411
Area:493.635
Solvation:-4.76676
Coulombic:-65.7082
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:362.303
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.08
LogP (Chemaxon):3.92

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